N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

C17H21N5O2 — CID 16673219

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1nc(C)n(CCNC(=O)C2(C)CC(c3ccccc3)=NO2)n1
InChIInChI=1S/C17H21N5O2/c1-12-19-13(2)22(20-12)10-9-18-16(23)17(3)11-15(21-24-17)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,18,23)
InChIKeyLDNFNYNHVHBGOK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 16673219) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID16673219
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1nc(C)n(CCNC(=O)C2(C)CC(c3ccccc3)=NO2)n1
InChIInChI=1S/C17H21N5O2/c1-12-19-13(2)22(20-12)10-9-18-16(23)17(3)11-15(21-24-17)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,18,23)
InChIKeyLDNFNYNHVHBGOK-UHFFFAOYSA-N
XLogP1.59
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465357
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 16673219) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is Cc1nc(C)n(CCNC(=O)C2(C)CC(c3ccccc3)=NO2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is LDNFNYNHVHBGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-19-13(2)22(20-12)10-9-18-16(23)17(3)11-15(21-24-17)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,18,23).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16673219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).